phosphonomethylphosphonic acid;phosphoric acid

CH9O10P3 — CID 174390883

IUPACphosphonomethylphosphonic acid;phosphoric acid
SMILESO=P(O)(O)CP(=O)(O)O.O=P(O)(O)O
InChIInChI=1S/CH6O6P2.H3O4P/c2-8(3,4)1-9(5,6)7;1-5(2,3)4/h1H2,(H2,2,3,4)(H2,5,6,7);(H3,1,2,3,4)
InChIKeyGDOFSQIESVJZDV-UHFFFAOYSA-N
MW274.00 g/mol
LogP-1.63
Rot. Bonds2

About phosphonomethylphosphonic acid;phosphoric acid

phosphonomethylphosphonic acid;phosphoric acid (PubChem CID 174390883) has the molecular formula CH9O10P3 and a molecular weight of 274.00 g/mol. Its IUPAC name is phosphonomethylphosphonic acid;phosphoric acid.

Molecular Properties

Compound Namephosphonomethylphosphonic acid;phosphoric acid
PubChem CID174390883
Molecular FormulaCH9O10P3
Molecular Weight274.00 g/mol
Exact Mass273.94
IUPAC Namephosphonomethylphosphonic acid;phosphoric acid
SMILESO=P(O)(O)CP(=O)(O)O.O=P(O)(O)O
InChIInChI=1S/CH6O6P2.H3O4P/c2-8(3,4)1-9(5,6)7;1-5(2,3)4/h1H2,(H2,2,3,4)(H2,5,6,7);(H3,1,2,3,4)
InChIKeyGDOFSQIESVJZDV-UHFFFAOYSA-N
XLogP-1.63
TPSA192.82 Ų
H-Bond Donors7
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.00
LogP ≤ 5-1.63
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

CID 162139470
CID 162139470
azane;phosphonomethylphosphonic acid
CID 18674565
ethylphosphonic acid;phosphoric acid
CID 87124135
acetamide;phosphonomethylphosphonic acid
CID 19382971
pentane-1,5-diamine;phosphonomethylphosphonic acid
CID 20502841
phosphonatomethylphosphonic acid
CID 136758999
ethylphosphonic acid;zirconium
CID 161117919
phosphoric acid;silane
CID 174967101
phosphoric acid;hexahydrate
CID 158346288
methane;phosphoric acid
CID 18515646
phosphoric acid;hydrate
CID 22023151
phosphane;phosphoric acid
CID 172840180

Frequently Asked Questions

What is the IUPAC name of phosphonomethylphosphonic acid;phosphoric acid?
The IUPAC name of phosphonomethylphosphonic acid;phosphoric acid (CID 174390883) is phosphonomethylphosphonic acid;phosphoric acid.
What is the SMILES notation for phosphonomethylphosphonic acid;phosphoric acid?
The canonical SMILES for phosphonomethylphosphonic acid;phosphoric acid is O=P(O)(O)CP(=O)(O)O.O=P(O)(O)O.
What is the InChIKey of phosphonomethylphosphonic acid;phosphoric acid?
The InChIKey is GDOFSQIESVJZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/CH6O6P2.H3O4P/c2-8(3,4)1-9(5,6)7;1-5(2,3)4/h1H2,(H2,2,3,4)(H2,5,6,7);(H3,1,2,3,4).
What are the key properties of phosphonomethylphosphonic acid;phosphoric acid?
phosphonomethylphosphonic acid;phosphoric acid has a molecular weight of 274.00 g/mol, XLogP of -1.63, 2 rotatable bonds, 7 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphonomethylphosphonic acid;phosphoric acid is sourced from PubChem (CID 174390883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).